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DuP 747 HCl

CAT: 1410-M34069-01Size: 1 EachDry Ice: NoHazardous: No
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Description
DuP 747 HCl is a selective kappa agonist with analgesic activity.DuP 747 consists of two conformations.
CAS Number
115904-74-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
483.86
Molecular Formula
C24H29Cl3N2O2
Notes
Research use only, not for human use.
Receptor
Opioid Receptor

Chemical Information

DuP 747 (hydrochloride)
CAS Number115904-74-0
PubChem CID45262820
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
Molecular FormulaC24H29Cl3N2O2
Molecular Weight483.9
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
CN([C@@H]1[C@H](CCC2=C1C=CC=C2OC)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.Cl
InChI
InChI=1S/C24H28Cl2N2O2.ClH/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28;/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3;1H/t21-,24-;/m0./s1
InChIKey
FPNBFLNBNPFFFA-TUYUPMGOSA-N
Chemical Structure
2D Structure
2D structure of DuP 747 (hydrochloride)
CAS: 115904-74-0
CID: 45262820
Formula: C24H29Cl3N2O2
MW: 483.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass482.129461
Monoisotopic Mass482.129461
Topological Polar Surface Area32.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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